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94107-50-3 | 2,2'-[1-(2-DODECENYL)ETHANE-1,2-DIYL]BIS-2-OXAZOLINE-4,4-DIMETHANOL
CAS No: 94107-50-3 Catalog No: AG005V4I MDL No:
Product Description
Catalog Number:
AG005V4I
Chemical Name:
2,2'-[1-(2-DODECENYL)ETHANE-1,2-DIYL]BIS-2-OXAZOLINE-4,4-DIMETHANOL
CAS Number:
94107-50-3
Molecular Formula:
C24H42N2O6
Molecular Weight:
454.6001
IUPAC Name:
[2-[2-[4,4-bis(hydroxymethyl)-5H-1,3-oxazol-2-yl]tetradec-4-enyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C24H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-20(22-26-24(16-29,17-30)19-32-22)13-21-25-23(14-27,15-28)18-31-21/h10-11,20,27-30H,2-9,12-19H2,1H3
InChI Key:
JFLJAMGXRVXFEW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC=CCC(C1=NC(CO1)(CO)CO)CC1=NC(CO1)(CO)CO
EC Number:
302-284-4
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.304g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
454.608g/mol
Monoisotopic Mass:
454.304g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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